![But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one structure](/static/products/5320/53207-31-1.webp)
But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one
TL;DR: But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one (CAS 53207-31-1) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one
Also Known As: 2-(Dimethylamino)methylbutyrophenone maleate, Propiophenone, 3-dimethylamino-2-ethyl-, maleate, 2-(DIMETHYLAMINO)METHYL-BUTYROPHENONE MALEATE, BUTYROPHENONE, 2-(DIMETHYLAMINO)METHYL-, MALEATE, but-2-enedioic acid; 2-(dimethylaminomethyl)-1-phenylbutan-1-one
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.1689 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 53207-31-1 |
|---|---|
| SMILES | CCC(CN(C)C)C(=O)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O |
| InChIKey | IIVDTCJILHUZAA-UHFFFAOYSA-N |
Product Overview
But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one (CAS 53207-31-1), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: but-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one.
Chemical Property Profile of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one
Property Insights of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one
The XLogP value of 2.1689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one. Following Lipinski's Rule of Five, But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one?
The CAS number of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one is 53207-31-1.
What is the molecular formula of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one?
The molecular formula of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one is C17H23NO5.
What is the molecular weight of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one?
The molecular weight of But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one is 321.16 g/mol.
Where can I buy But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one?
You can request a quote for But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for But-2-enedioic acid;2-[(dimethylamino)methyl]-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.